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4-Bromo-2-ethoxyphenol

CAT: 0127-OR1040140-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1040140-01Size:250 mg
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CAS Number
211495-66-8
MDL Number
MFCD09907051
Purity
98%
Smiles
CCOC1=C(C=CC(=C1)Br)O

Chemical Information

4-Bromo-2-ethoxyphenol
CAS Number211495-66-8
PubChem CID21877541
IUPAC Name4-bromo-2-ethoxyphenol
Molecular FormulaC8H9BrO2
Molecular Weight217.06
XLogP1.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CCOC1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C8H9BrO2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,10H,2H2,1H3
InChIKey
FHIRTCZQNMPCJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-ethoxyphenol
CAS: 211495-66-8
CID: 21877541
Formula: C8H9BrO2
MW: 217.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.06
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.97859
Monoisotopic Mass215.97859
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-4949792-{[ (4-Bromo-2-methylphenyl) amino]methyl}-6-ethoxyphenol
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sc-4917362-{ (E) -[ (4-bromo-2-fluorophenyl) imino]methyl}-6-ethoxyphenol
sc-4917282-{ (E) -[ (4-bromo-2-methylphenyl) imino]methyl}-6-ethoxyphenol
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